jiangteam/DecoyDB
🔧Code, 📂Dataset Dataset Summary DecoyDB is a curated dataset of high-resolution protein-ligand complexes and their associated decoy structures. It is designed to support research on graph contrastive learning, binding affinity prediction, and structure-based drug discovery. The dataset is derived from experimentally resolved complexes and refined to ensure data quality. Predicting the binding affinity of protein-ligand complexes plays a vital role in drug discovery.… See the full description on the dataset page: https://huggingface.co/datasets/jiangteam/DecoyDB.
| Author / organization | jiangteam |
|---|---|
| License (as declared) | apache-2.0 |
| Downloads | 6.7K (as reported by Hugging Face) |
| Likes | 2 |
| Created | 21 October 2025 |
| Last updated at source | 11 November 2025 |
Recent changes
- 16 Oct 2026 Description: 🔧Code, 📂Dataset Dataset Summary DecoyDB is a curated dataset of high-resolution protein-ligand complexes and their associated decoy structures. It is designed to support research on graph contrastive learning, binding affinity prediction, → 🔧Code, 📂Dataset Dataset Summary DecoyDB is a curated dataset of high-resolution protein-ligand complexes and their associated decoy structures. It is designed to support research on graph contrastive learning, binding affinity prediction,
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